MOPAC
From MaRDI portal
Cited in
(12)- DRAGON
- A linear-scaling quantum mechanical investigation of cytidine deaminase
- QSAR prediction of HIV-1 protease inhibitory activities using docking derived molecular descriptors
- HQRII1
- Monte Carlo method for identification of outlier molecules in QSAR studies
- Sinc approximation for numerical solution of integral equation arising in conductor-like screening model for real solvent
- XtalOpt
- \textsc{XtalOpt} version r9: an open-source evolutionary algorithm for crystal structure prediction
- Open Babel
- Secondary structure elements in polylactic acid models
- Fast eigensolver for dense real-symmetric matrices
- On electronegativity and chemical hardness relationships with aromaticity
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